Tricaprylin

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Systematic / IUPAC Name: 2,3-di(Octanoyloxy)propyl octanoate

ID: Reference13901

Other Names: Glycerol tricaprylate;
AA-4628

Formula: C27H50O6

Class: Endogenous Metabolites

Spectral Data

Tricaprylin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 784
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/11/2026 9:24:36 AM
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Identificators

InChI InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChI Key VLPFTAMPNXLGLX-UHFFFAOYSA-N
Canonical SMILES CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
CAS
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Other Names Glycerol tricaprylate;
AA-4628

In Other Databases

ChEBI CHEBI:76978
Wikipedia Axona
HMDb HMDB11187
KEGG C13044
DrugBank DB12176
PubChem 10850
ChemSpider 10393
ChEMBL CHEMBL1406148